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Ligand

NameCHEMBL133910
Molecular formulaC23H43O5P
IUPAC namebutyl-[(Z)-6-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hex-4-enyl]phosphinic acid
Molecular weight430.566
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.1
SynonymsBDBM50106551
Butyl-{6-[3,5-dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hex-4-enyl}-phosphinic acid
Butyl[(5Z,8R,9S,11R,12R,13E,15S)-9,11,15-trihydroxy-1-norprosta-5,13-diene-2-yl]phosphinic acid
Inchi KeyFEWXWECWZNLKLR-NVTZDDNGSA-N
Inchi IDInChI=1S/C23H43O5P/c1-3-5-9-12-19(24)14-15-21-20(22(25)18-23(21)26)13-10-7-8-11-17-29(27,28)16-6-4-2/h7,10,14-15,19-26H,3-6,8-9,11-13,16-18H2,1-2H3,(H,27,28)/b10-7-,15-14+/t19-,20+,21+,22-,23+/m0/s1
PubChem CID11133782
ChEMBLCHEMBL133910
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
76720Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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